4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole

C7H10ClNS2 — CID 83155527

IUPAC4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole
SMILESCC(C)CSc1nc(Cl)cs1
InChIInChI=1S/C7H10ClNS2/c1-5(2)3-10-7-9-6(8)4-11-7/h4-5H,3H2,1-2H3
InChIKeyRIPVVKHSQWBDHZ-UHFFFAOYSA-N
MW207.75 g/mol
LogP3.54
Rot. Bonds3

About 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole

4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole (PubChem CID 83155527) has the molecular formula C7H10ClNS2 and a molecular weight of 207.75 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole
PubChem CID83155527
Molecular FormulaC7H10ClNS2
Molecular Weight207.75 g/mol
Exact Mass206.99
IUPAC Name4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole
SMILESCC(C)CSc1nc(Cl)cs1
InChIInChI=1S/C7H10ClNS2/c1-5(2)3-10-7-9-6(8)4-11-7/h4-5H,3H2,1-2H3
InChIKeyRIPVVKHSQWBDHZ-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.75
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole (CID 83155527) is 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole is CC(C)CSc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole?
The InChIKey is RIPVVKHSQWBDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS2/c1-5(2)3-10-7-9-6(8)4-11-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole?
4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole has a molecular weight of 207.75 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 83155527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).